COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.797  -0.038  -0.842  1.00  0.00           N  
HETATM    2  C   UNL     1       0.831  -1.005   0.130  1.00  0.00           C  
HETATM    3  C   UNL     1       2.094  -1.185   0.539  1.00  0.00           C  
HETATM    4  C   UNL     1       2.922  -0.255  -0.238  1.00  0.00           C  
HETATM    5  C   UNL     1       4.342  -0.088  -0.145  1.00  0.00           C  
HETATM    6  C   UNL     1       5.505   0.048  -0.069  1.00  0.00           C  
HETATM    7  C   UNL     1       8.033   0.345   0.096  1.00  0.00           C  
HETATM    8  C   UNL     1      10.143   1.555  -0.726  1.00  0.00           C  
HETATM    9  C   UNL     1       2.074   0.415  -1.067  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.169   0.694  -1.746  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.116  -2.217  -0.653  1.00  0.00           O  
HETATM   12  S   UNL     1      -5.747  -1.212   0.129  1.00  0.00           S  
HETATM   13  O   UNL     1      -7.159  -1.067   0.064  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.269  -1.445   1.863  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.982   0.386  -0.259  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.634   1.468   0.563  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.951   2.300   1.121  1.00  0.00           O  
HETATM   18  N   UNL     1      -6.977   1.510   0.679  1.00  0.00           N  
HETATM   19  O   UNL     1      -7.589   2.526   1.451  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.488   0.330   0.066  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.801  -0.669  -0.867  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.354  -0.635  -0.639  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.467   0.155  -1.265  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.773   0.960  -2.123  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.600  -1.458   0.320  1.00  0.00           C  
HETATM   26  C   UNL     1       6.870   0.209   0.020  1.00  0.00           C  
HETATM   27  C   UNL     1       9.492   0.517   0.191  1.00  0.00           C  
HETATM   28  C   UNL     1      10.013   1.833   0.773  1.00  0.00           C  
HETATM   29  C   UNL     1      10.288  -0.754   0.495  1.00  0.00           C  
HETATM   30  O   UNL     1       9.525  -1.598   1.360  1.00  0.00           O  
HETATM   31  H   UNL     1       2.435  -1.878   1.293  1.00  0.00           H  
HETATM   32  H   UNL     1      11.138   1.332  -1.112  1.00  0.00           H  
HETATM   33  H   UNL     1       9.491   2.110  -1.400  1.00  0.00           H  
HETATM   34  H   UNL     1       2.357   1.177  -1.778  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.233   0.734  -1.978  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.710   1.654  -1.979  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.697  -0.088  -2.341  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.182  -1.461   1.942  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.665  -0.625   2.462  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.673  -2.390   2.228  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.523   0.844   0.232  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.555   2.474   1.475  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.048   1.317  -0.072  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.353   0.013   1.100  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.176  -1.673  -0.665  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.012  -0.404  -1.903  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.702  -2.516   0.081  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.932  -1.261   1.340  1.00  0.00           H  
HETATM   49  H   UNL     1      10.922   1.794   1.373  1.00  0.00           H  
HETATM   50  H   UNL     1       9.275   2.572   1.085  1.00  0.00           H  
HETATM   51  H   UNL     1      10.498  -1.283  -0.435  1.00  0.00           H  
HETATM   52  H   UNL     1      11.226  -0.488   0.982  1.00  0.00           H  
HETATM   53  H   UNL     1       9.969  -2.424   1.596  1.00  0.00           H  
CONECT    1    9   23    2                                            
CONECT    2    1    3    3   25                                       
CONECT    3    4    2    2   31                                       
CONECT    4    5    9    9    3                                       
CONECT    5    6    6    6    4                                       
CONECT    6   26    5    5    5                                       
CONECT    7   27   26   26   26                                       
CONECT    8   28   27   32   33                                       
CONECT    9    4    4    1   34                                       
CONECT   10   15   35   36   37                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   15   14                                       
CONECT   12   13   13                                                 
CONECT   13   12   12                                                 
CONECT   14   12   38   39   40                                       
CONECT   15   20   10   12   16                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   41                                            
CONECT   19   18   42                                                 
CONECT   20   21   15   43   44                                       
CONECT   21   22   20   45   46                                       
CONECT   22   23   25   21                                            
CONECT   23    1   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25    2   22   47   48                                       
CONECT   26    7    7    7    6                                       
CONECT   27   28   29    8    7                                       
CONECT   28   27    8   49   50                                       
CONECT   29   30   27   51   52                                       
CONECT   30   29   53                                                 
CONECT   31    3                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
